N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C18H20N4O2 — CID 45208311

IUPACN-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(-c2nc(-c3ccccc3C)no2)cn1
InChIInChI=1S/C18H20N4O2/c1-13-6-4-5-7-15(13)17-20-18(24-21-17)14-8-9-16(19-12-14)22(2)10-11-23-3/h4-9,12H,10-11H2,1-3H3
InChIKeyDAAYSRONLBCRKX-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 45208311) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID45208311
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(-c2nc(-c3ccccc3C)no2)cn1
InChIInChI=1S/C18H20N4O2/c1-13-6-4-5-7-15(13)17-20-18(24-21-17)14-8-9-16(19-12-14)22(2)10-11-23-3/h4-9,12H,10-11H2,1-3H3
InChIKeyDAAYSRONLBCRKX-UHFFFAOYSA-N
XLogP3.19
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine
CID 28989340
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 26406529
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridin-2-amine
CID 26396539
5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 51902975
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 28871899
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
CID 28953742
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
CID 28823846
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
3-(6-chloro-3-pyridinyl)-5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 46909302
5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 46908810

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 45208311) is N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is COCCN(C)c1ccc(-c2nc(-c3ccccc3C)no2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is DAAYSRONLBCRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-6-4-5-7-15(13)17-20-18(24-21-17)14-8-9-16(19-12-14)22(2)10-11-23-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 324.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 45208311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).